SCHEMBL5669757

SCHEMBL5669757

O=C(CC1CC1)NCc1nc(C(=O)NCCc2ccccc2F)cs1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.53
SLC40A1 Q9NP59 11/20 0.50
HIF1A Q16665 5/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5667932 0.80 SLC40A1 (0.46) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL5667924 0.80 SLC40A1 (0.46) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL2187599 0.80 HIF1A (0.55) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL2172176 0.78 HDAC3 (0.51) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL4550570 0.78 SLC40A1 (0.52) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL2172634 0.78 TRPV1 (0.56) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL5668846 0.77 IGF1R (0.47) IGF1RSLC40A1HIF1ARAB9AMEN1
SCHEMBL5668071 0.77 IGF1R (0.48) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL2174499 0.76 CNR1 (0.49) IGF1RSLC40A1HIF1ANPC1RAB9A
SCHEMBL4395207 0.75 CNR1 (0.51) IGF1RSLC40A1HIF1ANPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 WO disclosed